5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene

C12H20O — CID 67702740

IUPAC5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOC(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-7-8(2)10(4)12(9(7)3)11(5)13-6/h11-12H,1-6H3
InChIKeyCWDJTJVGCHVHFY-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.32
Rot. Bonds2

About 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene

5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 67702740) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID67702740
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCOC(C)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C12H20O/c1-7-8(2)10(4)12(9(7)3)11(5)13-6/h11-12H,1-6H3
InChIKeyCWDJTJVGCHVHFY-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 67702740) is 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is COC(C)C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is CWDJTJVGCHVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-7-8(2)10(4)12(9(7)3)11(5)13-6/h11-12H,1-6H3.
What are the key properties of 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 180.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 67702740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).